2-(cyclopent-2-en-1-yl)-N-(propan-2-yl)-N-[(trimethyl-1H-pyrazol-4-yl)methyl]acetamide

• ChemBase ID: 601565
• Molecular Formular: C17H27N3O
• Molecular Mass: 289.41578
• Monoisotopic Mass: 289.2154125
• SMILES: c1(c(n(nc1C)C)C)CN(C(=O)CC1C=CCC1)C(C)C
• Canonical SMILES: CC(N(C(=O)CC1CCC=C1)Cc1c(C)nn(c1C)C)C
• InChI: InChI=1S/C17H27N3O/c1-12(2)20(17(21)10-15-8-6-7-9-15)11-16-13(3)18-19(5)14(16)4/h6,8,12,15H,7,9-11H2,1-5H3
• InChIKey: RGVSQUXMJMPNJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopent-2-en-1-yl)-N-(propan-2-yl)-N-[(trimethyl-1H-pyrazol-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-(cyclopent-2-en-1-yl)-N-isopropyl-N-[(trimethylpyrazol-4-yl)methyl]acetamide
• Synonyms: 2-cyclopent-2-en-1-yl-N-isopropyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.167253
• LogD (pH = 7.4): 2.1692986
• Log P: 2.1693249
• Molar Refractivity: 98.9768 cm^3
• Polarizability: 32.911724 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.96
• LOG S: -2.99
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5